Application of Lossy Compression for MX Diffraction Data: use of lossy but not lossy compression (l_bnl_compress)

These are 3 data sets that are used to evaluate application of lossy compression for MX diffraction data. 

A lysosyme data set collected at 7500 eV to solve the S_SAD structure (Ly_01_22013). 

A thermolysin data set from a fragment screening campaign collection at the NSLS-II AMX beamline with a fragment bound (tlys-817_10982). 

A  CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-diAMP ligand data set (Endo6_23AA_2v_502).

The CBASS Cap5 structure was published and deposited to the PDB site (8FMG.PDB and https://doi.org/10.1038/s41594-024-01220-x). 

The 7500 eV lysosyme structure was solved using S_SAD phases initial compression results are published (9B7F.PDB and https://doi.org/10.1107/S160057752400359X). 

For each data set, we include the corresponding XDS.INP file containing all metadata required for data reduction). 

We are grateful to Dr. Dale Kreitler (NSLS-II, BNL) for providing full access to the thermolysin data set. 

We are grateful to Dr. Olga Rechkoblit (MSSM) and Dr. Aneel Aggarwal (MSSM) for providing full access to the CBASS Cap5 data set.